(1R,2S,6R,10R,11R)-10-hydroxy-2,6-dimethyl-8,12-dioxatetracyclo[9.3.1.01,5.06,10]pentadec-4-ene-3,9,13-trione

C15H16O6 — CID 71714432

IUPAC(1R,2S,6R,10R,11R)-10-hydroxy-2,6-dimethyl-8,12-dioxatetracyclo[9.3.1.01,5.06,10]pentadec-4-ene-3,9,13-trione
SMILESC[C@@H]1C(=O)C=C2[C@]13CC(=O)O[C@H](C3)[C@@]1(O)C(=O)OC[C@@]21C
InChIInChI=1S/C15H16O6/c1-7-8(16)3-9-13(2)6-20-12(18)15(13,19)10-4-14(7,9)5-11(17)21-10/h3,7,10,19H,4-6H2,1-2H3/t7-,10-,13+,14-,15-/m1/s1
InChIKeyOBPXIIQBMHEOHZ-LHUVKODFSA-N
MW292.29 g/mol
LogP0.13
Rot. Bonds

About (1R,2S,6R,10R,11R)-10-hydroxy-2,6-dimethyl-8,12-dioxatetracyclo[9.3.1.01,5.06,10]pentadec-4-ene-3,9,13-trione

(1R,2S,6R,10R,11R)-10-hydroxy-2,6-dimethyl-8,12-dioxatetracyclo[9.3.1.01,5.06,10]pentadec-4-ene-3,9,13-trione (PubChem CID 71714432) has the molecular formula C15H16O6 and a molecular weight of 292.29 g/mol. Its IUPAC name is (1R,2S,6R,10R,11R)-10-hydroxy-2,6-dimethyl-8,12-dioxatetracyclo[9.3.1.01,5.06,10]pentadec-4-ene-3,9,13-trione.

Molecular Properties

Compound Name(1R,2S,6R,10R,11R)-10-hydroxy-2,6-dimethyl-8,12-dioxatetracyclo[9.3.1.01,5.06,10]pentadec-4-ene-3,9,13-trione
PubChem CID71714432
Molecular FormulaC15H16O6
Molecular Weight292.29 g/mol
Exact Mass292.09
IUPAC Name(1R,2S,6R,10R,11R)-10-hydroxy-2,6-dimethyl-8,12-dioxatetracyclo[9.3.1.01,5.06,10]pentadec-4-ene-3,9,13-trione
SMILESC[C@@H]1C(=O)C=C2[C@]13CC(=O)O[C@H](C3)[C@@]1(O)C(=O)OC[C@@]21C
InChIInChI=1S/C15H16O6/c1-7-8(16)3-9-13(2)6-20-12(18)15(13,19)10-4-14(7,9)5-11(17)21-10/h3,7,10,19H,4-6H2,1-2H3/t7-,10-,13+,14-,15-/m1/s1
InChIKeyOBPXIIQBMHEOHZ-LHUVKODFSA-N
XLogP0.13
TPSA89.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.29
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (1R,2S,6R,10R,11R)-10-hydroxy-2,6-dimethyl-8,12-dioxatetracyclo[9.3.1.01,5.06,10]pentadec-4-ene-3,9,13-trione with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1R,2S,6R,10R,11R)-10-hydroxy-2,6-dimethyl-8,12-dioxatetracyclo[9.3.1.01,5.06,10]pentadec-4-ene-3,9,13-trione?
The IUPAC name of (1R,2S,6R,10R,11R)-10-hydroxy-2,6-dimethyl-8,12-dioxatetracyclo[9.3.1.01,5.06,10]pentadec-4-ene-3,9,13-trione (CID 71714432) is (1R,2S,6R,10R,11R)-10-hydroxy-2,6-dimethyl-8,12-dioxatetracyclo[9.3.1.01,5.06,10]pentadec-4-ene-3,9,13-trione.
What is the SMILES notation for (1R,2S,6R,10R,11R)-10-hydroxy-2,6-dimethyl-8,12-dioxatetracyclo[9.3.1.01,5.06,10]pentadec-4-ene-3,9,13-trione?
The canonical SMILES for (1R,2S,6R,10R,11R)-10-hydroxy-2,6-dimethyl-8,12-dioxatetracyclo[9.3.1.01,5.06,10]pentadec-4-ene-3,9,13-trione is C[C@@H]1C(=O)C=C2[C@]13CC(=O)O[C@H](C3)[C@@]1(O)C(=O)OC[C@@]21C.
What is the InChIKey of (1R,2S,6R,10R,11R)-10-hydroxy-2,6-dimethyl-8,12-dioxatetracyclo[9.3.1.01,5.06,10]pentadec-4-ene-3,9,13-trione?
The InChIKey is OBPXIIQBMHEOHZ-LHUVKODFSA-N. The full InChI is InChI=1S/C15H16O6/c1-7-8(16)3-9-13(2)6-20-12(18)15(13,19)10-4-14(7,9)5-11(17)21-10/h3,7,10,19H,4-6H2,1-2H3/t7-,10-,13+,14-,15-/m1/s1.
What are the key properties of (1R,2S,6R,10R,11R)-10-hydroxy-2,6-dimethyl-8,12-dioxatetracyclo[9.3.1.01,5.06,10]pentadec-4-ene-3,9,13-trione?
(1R,2S,6R,10R,11R)-10-hydroxy-2,6-dimethyl-8,12-dioxatetracyclo[9.3.1.01,5.06,10]pentadec-4-ene-3,9,13-trione has a molecular weight of 292.29 g/mol, XLogP of 0.13, 0 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,6R,10R,11R)-10-hydroxy-2,6-dimethyl-8,12-dioxatetracyclo[9.3.1.01,5.06,10]pentadec-4-ene-3,9,13-trione is sourced from PubChem (CID 71714432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).